2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one

C10H12FNO2 — CID 82399071

IUPAC2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
SMILESCOc1c(F)cccc1C(=O)C(C)N
InChIInChI=1S/C10H12FNO2/c1-6(12)9(13)7-4-3-5-8(11)10(7)14-2/h3-6H,12H2,1-2H3
InChIKeyJGRZNDLJWYZZCD-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.36
Rot. Bonds3

About 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one

2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one (PubChem CID 82399071) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
PubChem CID82399071
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
SMILESCOc1c(F)cccc1C(=O)C(C)N
InChIInChI=1S/C10H12FNO2/c1-6(12)9(13)7-4-3-5-8(11)10(7)14-2/h3-6H,12H2,1-2H3
InChIKeyJGRZNDLJWYZZCD-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one (CID 82399071) is 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one is COc1c(F)cccc1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one?
The InChIKey is JGRZNDLJWYZZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(12)9(13)7-4-3-5-8(11)10(7)14-2/h3-6H,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one?
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82399071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).